8-Chlorotheophylline

Name: 8-Chlorotheophylline
Brand: Vaqora Chemicals
SKU: VQ-028321

About 8-Chlorotheophylline

8-Chlorotheophylline is an impurity of Theophylline carrying the CAS registry number 85-18-7. The compound has the formula C7H7ClN4O2, corresponding to a molecular weight of 214.61 g/mol. Systematically, it is named 8-chloro-1,3-dimethyl-7H-purine-2,6-dione. It is also known as 1,3-Dimethyl-8-chloroxanthine or chlortheophylline.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

This Theophylline impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

We offer 8-Chlorotheophylline in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Theophylline

View every impurity, metabolite and intermediate we list for Theophylline.

Theophylline impurities

Specifications & identifiers

Chemical identifiers
Product name	8-Chlorotheophylline
Catalogue No.	VQ-028321
CAS Number	85-18-7
IUPAC name	8-chloro-1,3-dimethyl-7H-purine-2,6-dione
Molecular formula	C₇H₇ClN₄O₂
Molecular weight	214.61 g/mol
Exact mass	214.0258
Grade	Reference Standard
HSN code	38229090
InChIKey	RYIGNEOBDRVTHA-UHFFFAOYSA-N
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl
PubChem CID	10661

Physical properties
Physical form	Solid
LogP (XLogP3)	0.9
H-bond donors / acceptors	1 / 3
TPSA	69.3 Å²
Synonyms	1,3-Dimethyl-8-chloroxanthine, chlortheophylline, chlorotheophylline, 8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-Chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, sodium-8-chlorotheophylline, 8-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, Theophylline, 8-chloro-, 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, 8-chloro-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements: P264, P270, P301 + P317, P330, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 8-Chlorotheophylline?

The CAS Registry Number of 8-Chlorotheophylline is 85-18-7. It is also known as 1,3-Dimethyl-8-chloroxanthine, chlortheophylline, chlorotheophylline.

What is the molecular formula and molecular weight of 8-Chlorotheophylline?

8-Chlorotheophylline has the molecular formula C7H7ClN4O2 and a molecular weight of 214.61 g/mol. Its IUPAC name is 8-chloro-1,3-dimethyl-7H-purine-2,6-dione.

What is 8-Chlorotheophylline used for?

8-Chlorotheophylline is supplied as a characterised reference material related to Theophylline. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 8-Chlorotheophylline can I order?

We supply 8-Chlorotheophylline in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 8-Chlorotheophylline?

Yes. Every lot of 8-Chlorotheophylline is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 8-Chlorotheophylline be shipped internationally?

Yes. 8-Chlorotheophylline is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.